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論文リスト

doi title author source_title year
2605 10.1002/anie.201905407 Cavity Catalysis By Cooperative Vibrational Strong Coupling Of Reactant And Solvent Molecules Lather, Jyoti; Bhatt, Pooja; Thomas, Anoop, 0000-0001-8702-4934; Ebbesen, Thomas W., 0000-0002-3999-1636; George, Jino, 0000-0002-3558-6553 Angewandte Chemie International Edition 2019
3176 10.1002/jcc.26011 More Bang For Your Buck: Improved Use Of Gpu Nodes For Gromacs 2018 Kutzner, Carsten, 0000-0002-8719-0307; Pall, Szilard; Fechner, Martin; Esztermann, Ansgar; Groot, Bert L.; Grubmuller, Helmut Journal Of Computational Chemistry 2019
3660 10.1002/wcms.1493 Extended Tight‐Binding Quantum Chemistry Methods Bannwarth, Christoph, 0000-0003-3242-496X; Caldeweyher, Eike, 0000-0002-3985-595X; Ehlert, Sebastian, 0000-0001-7809-771X; Hansen, Andreas, 0000-0003-1659-8206; Pracht, Philipp, 0000-0002-8495-9504; Seibert, Jakob, 0000-0002-3163-8627; Spicher, Sebastian, 0000-0001-6541-3680; Grimme, Stefan, 0000-0002-5844-4371 Wires Computational Molecular Science 2020
4855 10.1016/j.actbio.2019.06.035 Aligned Conductive Core-Shell Biomimetic Scaffolds Based On Nanofiber Yarns/Hydrogel For Enhanced 3D Neurite Outgrowth Alignment And Elongation Wang, Ling; Wu, Yaobin, 0000-0003-2570-2837; Hu, Tianli; Ma, Peter X.; Guo, Baolin, 0000-0001-6756-1441 Acta Biomaterialia 2019
5134 10.1016/j.aop.2019.167998 Time-Evolution Methods For Matrix-Product States Paeckel, Sebastian; Kohler, Thomas; Swoboda, Andreas; Manmana, Salvatore R.; Schollwock, Ulrich; Hubig, Claudius Annals Of Physics 2019
6077 10.1016/j.bioactmat.2018.11.003 A Comprehensive Review Of Biodegradable Synthetic Polymer-Ceramic Composites And Their Manufacture For Biomedical Applications Alizadeh-Osgouei, Mona; Li, Yuncang, 0000-0003-4290-4772; Wen, Cuie, 0000-0001-8008-3536 Bioactive Materials 2019
6495 10.1016/j.btre.2019.e00316 Commercial Application Of Cellulose Nano-Composites <U+2013> A Review Sharma, Amita; Thakur, Manisha; Bhattacharya, Munna; Mandal, Tamal; Goswami, Saswata Biotechnology Reports 2019
6642 10.1016/j.carbpol.2018.10.023 Controlled Synthesis Of Sodium Alginate Electrospun Nanofiber Membranes For Multi-Occasion Adsorption And Separation Of Methylene Blue Wang, Qian; Ju, Junping; Tan, Yeqiang; Hao, Longyun; Ma, Yunliang; Wu, Yang; Zhang, Huawei; Xia, Yanzhi; Sui, Kunyan Carbohydrate Polymers 2019
6649 10.1016/j.carbpol.2018.12.010 Nanocellulose-Graphene Composites: A Promising Nanomaterial For Flexible Supercapacitors Xing, Jinghao; Tao, Peng; Wu, Zhengmei; Xing, Chuyue; Liao, Xiaoping; Nie, Shuangxi, 0000-0001-9695-3022 Carbohydrate Polymers 2019
6655 10.1016/j.carbpol.2019.01.037 Characterization Of Polysaccharide Fractions From Fruit Of Actinidia Arguta And Assessment Of Their Antioxidant And Antiglycated Activities Zhu, Rugang; Zhang, Xinyu; Wang, Yu; Zhang, Lijiao; Zhao, Jing; Chen, Gang; Fan, Jungang; Jia, Youfeng; Yan, Fengwen; Ning, Chong Carbohydrate Polymers 2019
6673 10.1016/j.carbpol.2019.115514 Alginate Hydrogels For Bone Tissue Engineering, From Injectables To Bioprinting: A Review Hernandez-Gonzalez, Aurora C., 0000-0001-7651-8138; Tellez-Jurado, Lucia; Rodriguez-Lorenzo, Luis M., 0000-0002-4816-1087 Carbohydrate Polymers 2020
8810 10.1016/j.commatsci.2019.109363 Hoomd-Blue: A Python Package For High-Performance Molecular Dynamics And Hard Particle Monte Carlo Simulations Anderson, Joshua A.; Glaser, Jens, 0000-0003-1852-3849; Glotzer, Sharon C. Computational Materials Science 2020
9141 10.1016/j.copsyc.2017.07.020 Ideation-To-Action Theories Of Suicide: A Conceptual And Empirical Update Klonsky, E David; Saffer, Boaz Y; Bryan, Craig J Current Opinion In Psychology 2018
9182 10.1016/j.cpc.2018.01.012 The Pseudodojo: Training And Grading A 85 Element Optimized Norm-Conserving Pseudopotential Table Van Setten, M.J., 0000-0003-0557-5260; Giantomassi, M.; Bousquet, E.; Verstraete, M.J.; Hamann, D.R.; Gonze, X.; Rignanese, G.-M., 0000-0002-1422-1205 Computer Physics Communications 2018
9191 10.1016/j.cpc.2019.107042 The Abinitproject: Impact, Environment And Recent Developments Gonze, Xavier, 0000-0002-8377-6829; Amadon, Bernard, 0000-0002-9014-1725; Antonius, Gabriel; Arnardi, Frederic; Baguet, Lucas; Beuken, Jean-Michel; Bieder, Jordan; Bottin, Francois; Bouchet, Johann, 0000-0003-1238-8682; Bousquet, Eric; Brouwer, Nils, 0000-0002-6456-3449; Bruneval, Fabien; Brunin, Guillaume, 0000-0002-5685-4668; Cavignac, Theo; Charraud, Jean-Baptiste, 0000-0002-3569-903X; Chen, Wei, 0000-0002-7496-0341; Cote, Michel, 0000-0001-9046-9491; Cottenier, Stefaan, 0000-0003-2541-8043; Denier, Jules; Geneste, Gregory; Ghosez, Philippe; Giantomassi, Matteo; Gillet, Yannick; Gingras, Olivier, 0000-0003-3970-6273; Hamann, Donald R.; Hautier, Geoffroy; He, Xu, 0000-0003-4437-0567; Helbig, Nicole, 0000-0002-5786-9976; Holzwarth, Natalie; Jia, Yongchao; Jollet, Francois; Lafargue-Dit-Hauret, William; Lejaeghere, Kurt, 0000-0002-4462-8209; Marques, Miguel A.L., 0000-0003-0170-8222; Martin, Alexandre; Martins, Cyril, 0000-0002-4337-8631; Miranda, Henrique P.C., 0000-0002-2843-0876; Naccarato, Francesco; Persson, Kristin; Petretto, Guido; Planes, Valentin; Pouillon, Yann; Prokhorenko, Sergei, 0000-0003-3911-0795; Ricci, Fabio, 0000-0002-6857-2115; Rignanese, Gian-Marco, 0000-0002-1422-1205; Romero, Aldo H., 0000-0001-5968-0571; Schmitt, Michael Marcus; Torrent, Marc; Van Setten, Michiel J., 0000-0003-0557-5260; Van Troeye, Benoit; Verstraete, Matthieu J.; Zerah, Gilles; Zwanziger, Josef W., 0000-0001-9999-7469 Computer Physics Communications 2020
9208 10.1016/j.crhy.2018.03.003 Many-Body Localization: An Introduction And Selected Topics Alet, Fabien; Laflorencie, Nicolas Comptes Rendus Physique 2018
10091 10.1016/j.ensm.2019.03.009 Recent Advances In Triboelectric Nanogenerator Based Self-Charging Power Systems Luo, Jianjun; Wang, Zhong Lin Energy Storage Materials 2019
10629 10.1016/j.foodchem.2018.07.212 Pistachio Green Hull Pectin: Optimization Of Microwave-Assisted Extraction And Evaluation Of Its Physicochemical, Structural And Functional Properties Kazemi, Milad; Khodaiyan, Faramarz, 0000-0003-2384-4145; Labbafi, Mohsen, 0000-0002-4251-4355; Saeid Hosseini, Seyed; Hojjati, Mohammad Food Chemistry 2019
12458 10.1016/j.jcis.2018.08.053 Long-Term Antibacterial Stable Reduced Graphene Oxide Nanocomposites Loaded With Cuprous Oxide Nanoparticles Yang, Zhaoqing; Hao, Xiangping; Chen, Shougang; Ma, Zhenqing; Wang, Wenhui; Wang, Caiyu; Yue, Longfei; Sun, Haiyun; Shao, Qian; Murugadoss, Vignesh, 0000-0001-7817-4113; Guo, Zhanhu Journal Of Colloid And Interface Science 2019
12556 10.1016/j.jclepro.2018.07.181 Hybrid Aerogels Derived From Banana Peel And Waste Paper For Efficient Oil Absorption And Emulsion Separation Yue, Xuejie; Zhang, Tao; Yang, Dongya; Qiu, Fengxian; Li, Zhangdi Journal Of Cleaner Production 2018
12891 10.1016/j.jconrel.2019.06.011 Graphene-Based Nanomaterials: The Promising Active Agents For Antibiotics-Independent Antibacterial Applications Xia, Meng-Ying; Xie, Yu; Yu, Chen-Hao; Chen, Ge-Yun; Li, Yuan-Hong; Zhang, Ting; Peng, Qiang, 0000-0002-2268-3178 Journal Of Controlled Release 2019
13300 10.1016/j.jhep.2018.03.018 Easl Clinical Practice Guidelines: Management Of Alcohol-Related Liver Disease Thursz, Mark; Gual, Antoni; Lackner, Caroline; Mathurin, Philippe; Moreno, Christophe; Spahr, Laurent; Sterneck, Martina; Cortez-Pinto, Helena Journal Of Hepatology 2018
13891 10.1016/j.jpha.2019.04.003 Carbon Nanotubes: Evaluation Of Toxicity At Biointerfaces Mohanta, Debashish; Patnaik, Soma; Sood, Sanchit; Das, Nilanjan Journal Of Pharmaceutical Analysis 2019
14358 10.1016/j.matt.2019.10.020 A Dynamic Gel With Reversible And Tunable Topological Networks And Performances Zhao, Dawei; Zhu, Ying; Cheng, Wanke; Xu, Guangwen; Wang, Qingwen, 0000-0001-5988-9922; Liu, Shouxin; Li, Jian; Chen, Chaoji; Yu, Haipeng, 0000-0003-0634-7913; Hu, Liangbing Matter 2020
14861 10.1016/j.msec.2019.02.070 Recent Advances Of Collagen-Based Biomaterials: Multi-Hierarchical Structure, Modification And Biomedical Applications Liu, Xinhua; Zheng, Chi; Luo, Xiaomin; Wang, Xuechuan; Jiang, Huie Materials Science And Engineering: C 2019
14864 10.1016/j.msec.2019.03.043 Advanced Biomedical Applications Of Carbon Nanotube Raphey, V.R.; Henna, T.K.; Nivitha, K.P.; Mufeedha, P.; Sabu, Chinnu; Pramod, K., 0000-0002-8689-3369 Materials Science And Engineering: C 2019
14882 10.1016/j.msec.2020.110698 Recent Trends In The Application Of Widely Used Natural And Synthetic Polymer Nanocomposites In Bone Tissue Regeneration Bharadwaz, Angshuman; Jayasuriya, Ambalangodage C. Materials Science And Engineering: C 2020
14966 10.1016/j.nanoen.2018.10.013 Thermoelectricity For Iot <U+2013> A Review Haras, Maciej; Skotnicki, Thomas Nano Energy 2018
14989 10.1016/j.nanoen.2018.11.037 Angle-Shaped Triboelectric Nanogenerator For Harvesting Environmental Wind Energy Lin, Hongbin; He, Minghui; Jing, Qingshen; Yang, Weifeng, 0000-0001-9067-8103; Wang, Shutang; Liu, Ying; Zhang, Yaoli; Li, Jing; Li, Ning; Ma, Yanwen; Wang, Lianhui; Xie, Yannan Nano Energy 2019
15311 10.1016/j.neuroimage.2017.02.045 Dynamic Causal Modelling Revisited Friston, K.J.; Preller, Katrin H.; Mathys, Chris; Cagnan, Hayriye; Heinzle, Jakob; Razi, Adeel; Zeidman, Peter Neuroimage 2019
15577 10.1016/j.orgel.2019.105432 Flexible And Printed Organic Transistors: From Materials To Integrated Circuits Matsui, Hiroyuki, 0000-0003-1956-9603; Takeda, Yasunori, 0000-0001-6976-2749; Tokito, Shizuo Organic Electronics 2019
15785 10.1016/j.physrep.2018.07.004 Quantum Coherence And Geometric Quantum Discord Hu, Ming-Liang, 0000-0002-8750-090X; Hu, Xueyuan; Wang, Jieci; Peng, Yi; Zhang, Yu-Ran; Fan, Heng, 0000-0002-5328-2449 Physics Reports 2018
15924 10.1016/j.polymer.2018.12.046 Functionalized Chitosan Electrospun Nanofiber Membranes For Heavy-Metal Removal Yang, Dongxue; Li, Lingfeng; Chen, Binling, 0000-0003-0719-7398; Shi, Shuxian; Nie, Jun; Ma, Guiping Polymer 2019
15987 10.1016/j.progpolymsci.2018.06.009 Polymeric Materials With Switchable Superwettability For Controllable Oil/Water Separation: A Comprehensive Review Li, Jin-Jin; Zhou, Yin-Ning; Luo, Zheng-Hong Progress In Polymer Science 2018
15995 10.1016/j.progpolymsci.2018.09.002 Recent Advances In Surface-Modified Cellulose Nanofibrils Rol, Fleur; Belgacem, Mohamed Naceur; Gandini, Alessandro; Bras, Julien Progress In Polymer Science 2019
17599 10.1016/j.tibtech.2018.10.007 Novel Biomedical Applications Of Crosslinked Collagen Gu, Lisha; Shan, Tiantian; Ma, Yu-Xuan; Tay, Franklin R.; Niu, Lina Trends In Biotechnology 2019
17644 10.1016/j.tifs.2018.03.022 An Overview Of The Traditional And Innovative Approaches For Pectin Extraction From Plant Food Wastes And By-Products: Ultrasound-, Microwaves-, And Enzyme-Assisted Extraction Mari<U+0107>, Mirela; Grassino, Antonela Nin<U+010D>evi<U+0107>; Zhu, Zhenzhou; Barba, Francisco J., 0000-0002-5630-3989; Brn<U+010D>i<U+0107>, Mladen; Rimac Brn<U+010D>i<U+0107>, Suzana Trends In Food Science & Technology 2018
17863 10.1016/j.trac.2019.01.012 Nanoparticle-Based Sensors For Food Contaminants Li, Yue; Wang, Zhongxing; Sun, Li; Liu, Liqiang; Xu, Chuanlai; Kuang, Hua Trac Trends In Analytical Chemistry 2019
18050 10.1016/j.ultsonch.2018.05.031 Optimization Of Ultrasound-Assisted Extraction Of Biomass From Olive Trees Using Response Surface Methodology Martinez-Patino, Jose Carlos; Gullon, Beatriz; Romero, Inmaculada; Ruiz, Encarnacion; Brn<U+010D>i<U+0107>, Mladen; <U+017D>labur, Jana <U+0160>ic; Castro, Eulogio, 0000-0001-8948-0765 Ultrasonics Sonochemistry 2019
18102 10.1016/j.wasman.2018.09.024 Valorisation Of Citrus Processing Waste: A Review Zema, D.A.; Calabro, P.S.; Folino, A.; Tamburino, V.; Zappia, G.; Zimbone, S.M. Waste Management 2018
18778 10.1016/s0140-6736(20)32714-8 First-Line Nivolumab Plus Ipilimumab In Unresectable Malignant Pleural Mesothelioma (Checkmate 743): A Multicentre, Randomised, Open-Label, Phase 3 Trial Baas, Paul; Scherpereel, Arnaud; Nowak, Anna K; Fujimoto, Nobukazu; Peters, Solange; Tsao, Anne S; Mansfield, Aaron S; Popat, Sanjay; Jahan, Thierry; Antonia, Scott; Oulkhouir, Youssef; Bautista, Yolanda; Cornelissen, Robin; Greillier, Laurent; Grossi, Francesco; Kowalski, Dariusz; Rodriguez-Cid, Jeronimo; Aanur, Praveen; Oukessou, Abderrahim; Baudelet, Christine; Zalcman, Gerard The Lancet 2021
19198 10.1016/s2213-2600(20)30234-4 Covid-19 And The Impact Of Social Determinants Of Health Abrams, Elissa M; Szefler, Stanley J The Lancet Respiratory Medicine 2020
19314 10.1016/s2215-0366(18)30269-4 Comparative Efficacy And Tolerability Of Medications For Attention-Deficit Hyperactivity Disorder In Children, Adolescents, And Adults: A Systematic Review And Network Meta-Analysis Cortese, Samuele; Adamo, Nicoletta; Del Giovane, Cinzia; Mohr-Jensen, Christina; Hayes, Adrian J; Carucci, Sara; Atkinson, Lauren Z; Tessari, Luca; Banaschewski, Tobias; Coghill, David; Hollis, Chris; Simonoff, Emily; Zuddas, Alessandro; Barbui, Corrado; Purgato, Marianna; Steinhausen, Hans-Christoph; Shokraneh, Farhad; Xia, Jun; Cipriani, Andrea The Lancet Psychiatry 2018
19758 10.1021/acs.analchem.8b05455 Dual-Channel Photoelectrochemical Ratiometric Aptasensor With Up-Converting Nanocrystals Using Spatial-Resolved Technique On Homemade 3D Printed Device Qiu, Zhenli; Shu, Jian; Liu, Jingfeng; Tang, Dianping, 0000-0002-0134-3983 Analytical Chemistry 2018
19759 10.1021/acs.analchem.8b05599 Nucleic Acid-Functionalized Metal<U+2013>Organic Framework-Based Homogeneous Electrochemical Biosensor For Simultaneous Detection Of Multiple Tumor Biomarkers Chang, Jiafu; Wang, Xin; Wang, Jiao; Li, Haiyin; Li, Feng, 0000-0002-3894-6139 Analytical Chemistry 2019
19760 10.1021/acs.analchem.8b05610 Concatenated Catalytic Hairpin Assembly/Hyperbranched Hybridization Chain Reaction Based Enzyme-Free Signal Amplification For The Sensitive Photoelectrochemical Detection Of Human Telomerase Rna Chu, Yanxin, 0000-0003-0008-2387; Deng, An-Ping, 0000-0002-6451-9384; Wang, Wenjing, 0000-0003-4035-8552; Zhu, Jun-Jie, 0000-0002-8201-1285 Analytical Chemistry 2019
19761 10.1021/acs.analchem.8b05959 Branched Polyethylenimine-Modified Upconversion Nanohybrid-Mediated Photoelectrochemical Immunoassay With Synergistic Effect Of Dual-Purpose Copper Ions Luo, Zhongbin; Qi, Qingan; Zhang, Lijia; Zeng, Ruijin; Su, Lingshan; Tang, Dianping, 0000-0002-0134-3983 Analytical Chemistry 2019
19764 10.1021/acs.analchem.9b00512 Light-Responsive Metal<U+2013>Organic Framework As An Oxidase Mimic For Cellular Glutathione Detection Liu, Yufeng; Zhou, Min; Cao, Wen; Wang, Xiaoyu, 0000-0002-8641-2430; Wang, Quan; Li, Sirong; Wei, Hui, 0000-0003-0870-7142 Analytical Chemistry 2019
19768 10.1021/acs.analchem.9b01884 Fluorescent Graphitic Carbon Nitride-Based Nanozymes With Peroxidase-Like Activities For Ratiometric Biosensing Wang, Xiaoyu, 0000-0002-8641-2430; Qin, Li; Lin, Minjie; Xing, Hang, 0000-0003-3917-8343; Wei, Hui, 0000-0003-0870-7142 Analytical Chemistry 2019
19775 10.1021/acs.analchem.9b04199 Recent Advances In Photoelectrochemical Sensing: From Engineered Photoactive Materials To Sensing Devices And Detection Modes Shu, Jian; Tang, Dianping, 0000-0002-0134-3983 Analytical Chemistry 2019
19787 10.1021/acs.biomac.0c00045 3D Extracellular Matrix Mimics: Fundamental Concepts And Role Of Materials Chemistry To Influence Stem Cell Fate Nicolas, Julien, 0000-0002-1597-0873; Magli, Sofia; Rabbachin, Linda; Sampaolesi, Susanna; Nicotra, Francesco; Russo, Laura, 0000-0002-5914-766X Biomacromolecules 2020
19894 10.1021/acs.chemrev.7b00577 Recent Advances And Perspectives On Nonadiabatic Mixed Quantum<U+2013>Classical Dynamics Crespo-Otero, Rachel, 0000-0002-8725-5350; Barbatti, Mario, 0000-0001-9336-6607 Chemical Reviews 2018
19927 10.1021/acs.chemrev.8b00239 Boosting Rechargeable Batteries R&D By Multiscale Modeling: Myth Or Reality? Franco, Alejandro A., 0000-0001-7362-7849; Rucci, Alexis; Brandell, Daniel, 0000-0002-8019-2801; Frayret, Christine; Gaberscek, Miran, 0000-0002-8104-1693; Jankowski, Piotr, 0000-0003-0178-8955; Johansson, Patrik, 0000-0002-9907-117X Chemical Reviews 2019
19930 10.1021/acs.chemrev.8b00244 Multireference Approaches For Excited States Of Molecules Lischka, Hans, 0000-0002-5656-3975; Nachtigallova, Dana, 0000-0002-9588-8625; Aquino, Adelia J. A., 0000-0003-4891-6512; Szalay, Peter G., 0000-0003-1885-3557; Plasser, Felix, 0000-0003-0751-148X; Machado, Francisco B. C., 0000-0002-2064-3463; Barbatti, Mario, 0000-0001-9336-6607 Chemical Reviews 2018
19953 10.1021/acs.chemrev.8b00361 Computational Approach To Molecular Catalysis By 3D Transition Metals: Challenges And Opportunities Vogiatzis, Konstantinos D., 0000-0002-7439-3850; Polynski, Mikhail V.; Kirkland, Justin K.; Townsend, Jacob; Hashemi, Ali; Liu, Chong, 0000-0003-0311-8744; Pidko, Evgeny A., 0000-0001-9242-9901 Chemical Reviews 2018
20030 10.1021/acs.chemrev.8b00763 Molecular Dynamics Simulations Of Ionic Liquids And Electrolytes Using Polarizable Force Fields Bedrov, Dmitry, 0000-0002-3884-3308; Piquemal, Jean-Philip, 0000-0001-6615-9426; Borodin, Oleg, 0000-0002-9428-5291; Mackerell, Alexander D., 0000-0001-8287-6804; Roux, Benoit, 0000-0002-5254-2712; Schroder, Christian, 0000-0002-2167-5096 Chemical Reviews 2019
20035 10.1021/acs.chemrev.9b00007 Accuracy And Interpretability: The Devil And The Holy Grail. New Routes Across Old Boundaries In Computational Spectroscopy Puzzarini, Cristina, 0000-0002-2395-8532; Bloino, Julien; Tasinato, Nicola, 0000-0003-1755-7238; Barone, Vincenzo, 0000-0001-6420-4107 Chemical Reviews 2019
20095 10.1021/acs.chemrev.9b00447 Non-Adiabatic Excited-State Molecular Dynamics: Theory And Applications For Modeling Photophysics In Extended Molecular Materials Nelson, Tammie R., 0000-0002-3173-5291; White, Alexander J., 0000-0002-7771-3899; Bjorgaard, Josiah A., 0000-0003-3679-2487; Sifain, Andrew E., 0000-0002-2964-1923; Zhang, Yu, 0000-0001-8938-1927; Nebgen, Benjamin; Fernandez-Alberti, Sebastian, 0000-0002-0916-5069; Mozyrsky, Dmitry; Roitberg, Adrian E., 0000-0003-3963-8784; Tretiak, Sergei, 0000-0001-5547-3647 Chemical Reviews 2020
20122 10.1021/acs.chemrev.9b00693 Microstructural And Dynamical Heterogeneities In Ionic Liquids Wang, Yong-Lei, 0000-0003-3393-7257; Li, Bin, 0000-0002-5103-0790; Sarman, Sten; Mocci, Francesca; Lu, Zhong-Yuan, 0000-0001-7884-0091; Yuan, Jiayin, 0000-0003-1016-5135; Laaksonen, Aatto, 0000-0001-9783-4535; Fayer, Michael D., 0000-0002-0021-1815 Chemical Reviews 2020
20307 10.1021/acs.jcim.8b00462 Gpu-Accelerated Molecular Dynamics And Free Energy Methods In Amber18: Performance Enhancements And New Features Lee, Tai-Sung, 0000-0003-2110-2279; Cerutti, David S.; Mermelstein, Dan; Lin, Charles, 0000-0002-5461-6690; Legrand, Scott; Giese, Timothy J.; Roitberg, Adrian, 0000-0003-3963-8784; Case, David A., 0000-0003-2314-2346; Walker, Ross C.; York, Darrin M., 0000-0002-9193-7055 Journal Of Chemical Information And Modeling 2018
20317 10.1021/acs.jcim.9b00725 New Basis Set Exchange: An Open, Up-To-Date Resource For The Molecular Sciences Community Pritchard, Benjamin P., 0000-0003-2136-0606; Altarawy, Doaa, 0000-0002-7795-4422; Didier, Brett; Gibson, Tara D.; Windus, Theresa L., 0000-0001-6065-3167 Journal Of Chemical Information And Modeling 2019
20319 10.1021/acs.jctc.8b00529 Tinker 8: Software Tools For Molecular Design Rackers, Joshua A.; Wang, Zhi; Lu, Chao; Laury, Marie L.; Lagardere, Louis; Schnieders, Michael J.; Piquemal, Jean-Philip, 0000-0001-6615-9426; Ren, Pengyu; Ponder, Jay W., 0000-0001-5450-9230 Journal Of Chemical Theory And Computation 2018
20326 10.1021/acs.jctc.8b01176 Gfn2-Xtb―An Accurate And Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method With Multipole Electrostatics And Density-Dependent Dispersion Contributions Bannwarth, Christoph, 0000-0003-3242-496X; Ehlert, Sebastian; Grimme, Stefan, 0000-0002-5844-4371 Journal Of Chemical Theory And Computation 2019
20328 10.1021/acs.jctc.9b00143 Exploration Of Chemical Compound, Conformer, And Reaction Space With Meta-Dynamics Simulations Based On Tight-Binding Quantum Chemical Calculations Grimme, Stefan, 0000-0002-5844-4371 Journal Of Chemical Theory And Computation 2019
20332 10.1021/acs.jctc.9b00532 Openmolcas: From Source Code To Insight Fdez. Galvan, Ignacio, 0000-0002-0684-7689; Vacher, Morgane, 0000-0001-9418-6579; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen, 0000-0001-9392-877X; Bao, Jie J., 0000-0003-0197-3405; Bokarev, Sergey I., 0000-0003-0779-5013; Bogdanov, Nikolay A.; Carlson, Rebecca K., 0000-0002-1710-5816; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S., 0000-0001-8182-6522; Dreuw, Andreas, 0000-0002-5862-5113; Freitag, Leon; Frutos, Luis Manuel, 0000-0003-1036-7108; Gagliardi, Laura, 0000-0001-5227-1396; Gendron, Frederic; Giussani, Angelo, 0000-0002-9452-7641; Gonzalez, Leticia, 0000-0001-5112-794X; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan, 0000-0001-9818-2372; Kova<U+010D>evi<U+0107>, Goran; Kallman, Erik; Li Manni, Giovanni, 0000-0002-3666-3880; Lundberg, Marcus, 0000-0002-1312-1202; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp, 0000-0002-8711-1533; Mewes, Stefanie A., 0000-0002-6538-9876; Norell, Jesper, 0000-0003-1058-2588; Olivucci, Massimo, 0000-0002-8247-209X; Oppel, Markus, 0000-0001-6363-2310; Phung, Quan Manh; Pierloot, Kristine; Plasser, Felix, 0000-0003-0751-148X; Reiher, Markus, 0000-0002-9508-1565; Sand, Andrew M., 0000-0002-7166-2066; Schapiro, Igor, 0000-0001-8536-6869; Sharma, Prachi, 0000-0002-1819-542X; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G., 0000-0002-7742-7294; Ugandi, Mihkel; Ungur, Liviu, 0000-0001-5015-4225; Valentini, Alessio, 0000-0002-0882-9417; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Weso<U+0142>owski, Tomasz A., 0000-0001-5792-4616; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander, 0000-0002-4332-8546; Zobel, J. Patrick, 0000-0002-9601-7573; Lindh, Roland, 0000-0001-7567-8295 Journal Of Chemical Theory And Computation 2019
20333 10.1021/acs.jctc.9b00591 Ff19Sb: Amino-Acid-Specific Protein Backbone Parameters Trained Against Quantum Mechanics Energy Surfaces In Solution Tian, Chuan, 0000-0002-3518-7237; Kasavajhala, Koushik; Belfon, Kellon A. A.; Raguette, Lauren; Huang, He, 0000-0002-2299-5243; Migues, Angela N.; Bickel, John; Wang, Yuzhang; Pincay, Jorge; Wu, Qin, 0000-0001-6350-6672; Simmerling, Carlos, 0000-0002-7252-4730 Journal Of Chemical Theory And Computation 2019
20372 10.1021/acs.jpca.9b03157 Minimally Empirical Double-Hybrid Functionals Trained Against The Gmtkn55 Database: Revdsd-Pbep86-D4, Revdod-Pbe-D4, And Dod-Scan-D4 Santra, Golokesh, 0000-0002-7297-8767; Sylvetsky, Nitai; Martin, Jan M. L., 0000-0002-0005-5074 The Journal Of Physical Chemistry A 2019
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